(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide

C16H19N3O6 — CID 8559266

IUPAC(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C=O)cc1[N+](=O)[O-])C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O6/c1-10(15(21)18-16(22)17-12-4-2-3-5-12)25-14-7-6-11(9-20)8-13(14)19(23)24/h6-10,12H,2-5H2,1H3,(H2,17,18,21,22)/t10-/m1/s1
InChIKeyQGCCAOHQIAMBEU-SNVBAGLBSA-N
MW349.34 g/mol
LogP1.94
Rot. Bonds6

About (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide

(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide (PubChem CID 8559266) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
PubChem CID8559266
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C=O)cc1[N+](=O)[O-])C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O6/c1-10(15(21)18-16(22)17-12-4-2-3-5-12)25-14-7-6-11(9-20)8-13(14)19(23)24/h6-10,12H,2-5H2,1H3,(H2,17,18,21,22)/t10-/m1/s1
InChIKeyQGCCAOHQIAMBEU-SNVBAGLBSA-N
XLogP1.94
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
2-(4-formyl-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 43244160
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
CID 62114325
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559100
4-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzaldehyde
CID 8559222
N-[(1R)-1-cyclopropylethyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8640967

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide (CID 8559266) is (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide is C[C@@H](Oc1ccc(C=O)cc1[N+](=O)[O-])C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide?
The InChIKey is QGCCAOHQIAMBEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-10(15(21)18-16(22)17-12-4-2-3-5-12)25-14-7-6-11(9-20)8-13(14)19(23)24/h6-10,12H,2-5H2,1H3,(H2,17,18,21,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide?
(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide has a molecular weight of 349.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8559266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).